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CAS 5271-38-5 2-(METHYLTHIO)ETHANOL molecular structure lightbox
CAS RN: 5271-38-5

2-(METHYLTHIO)ETHANOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100g In stock Shanghai, Shandong Inquiry
Batchno.20250621 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251025 500g In stock Shandong Inquiry
Batchno.20251127 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS5271-38-5
  • Purity/Analytical Methods: >99.0%
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5271-38-5 / 2-methylsulfanylethanol

Standard CAS: 5271-38-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5271-38-5
Multi CAS
Yes
Molecular Formula
C3H8OS
Molecular Weight
92.160000
Exact Mass
92.029586
InChI
InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKey
WBBPRCNXBQTYLF-UHFFFAOYSA-N

Physical Properties

Boiling Point
169.00 to 171.00 °C. @ 760.00 mm Hg
Density
1.055-1.065 (20°)
Physical Description
colourless to pale yellow liquid; powerful meat-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.47
TPSA
20.23

LogP / Solubility

WLOGP
0.34
MLOGP
0.29
XLogP3
0.2
Consensus LogP
0.28
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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